CAS 444731-75-3

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Also known as: 444731-75-3, N-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-2h-indazol-6-amine, N-(2-chloropyrimidin-4-yl)-n,2,3-trimethylindazol-6-amine, 2h-indazol-6-amine, n-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-, N-(2-chloropyrimidin-4-yl)-n-methyl-2,3-dimethyl-2h-indazol-6-amine, 2h-indazol-6-amine,n-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-

Molecular Formula

C₁₄H₁₄ClN₅

Molecular Weight

287.75 g/mol

InChI Key

DVGMRZQSSNNTFY-UHFFFAOYSA-N

1 2D Structure

CAS 444731-75-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine

2.1.2 InChI

InChI=1S/C14H14ClN5/c1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13/h4-8H,1-3H3

2.1.3 InChI Key

DVGMRZQSSNNTFY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 444731-75-3

2. N-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-2h-indazol-6-amine

3. N-(2-chloropyrimidin-4-yl)-n,2,3-trimethylindazol-6-amine

4. 2h-indazol-6-amine, N-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-

5. N-(2-chloropyrimidin-4-yl)-n-methyl-2,3-dimethyl-2h-indazol-6-amine

6. 2h-indazol-6-amine,n-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-

7. Schembl589205

8. Dtxsid70469403

9. Bcp13045

10. Cs-b0769

11. Mfcd12923006

12. Zinc35928937

13. Akos015918031

14. Ccg-358824

15. Sb18242

16. Ac-25865

17. As-71135

18. Db-038010

19. Am20090657

20. Ft-0687641

21. F11991

22. J-522901

23. F9995-1141

24. (2-chloro-pyrimidin-4-yl)-(2,3-dimethyl-2h-indazol-6-yl)-methyl-amine

25. 6-[n-(2-chloro-4-pyrimidinyl)methylamino]-2,3-dimethyl-2h-indazole

26. 6-[n-(2-chloro-4-pyrimidinyl)methylamino]-2,3-dimethyl-2h-indazole, 96%

27. N-(2-chloropyrimidin-4-yl)-n-methyl-2,3-dimethyl-2h-indazole-6-amine

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₄ClN₅
Molecular Weight	287.75 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	287.0937732 g/mol
Monoisotopic Mass	287.0937732 g/mol
Topological Polar Surface Area	46.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1